Geometry & MOs

Info

ID:

444950

PubChem CID:

135264037

Reduced:

Cl2O3N4H26C28 (1)

Stoich.:

A2B3C4D26E28 (1)

Weight, g/mol:

539.28964

ΔHf, kcal/mol:

-42.62

Dipole, Da:

6.94

IP(EA), eV:

 -9.11(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-(3,4-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(1-ethyl-4-methylbenzotriazol-5-yl)-N-methoxy-N-methylpropanamide

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(CC(=O)O)C3=CC4=C(CCN(C4)C(=O)C5=C(C=C(C=C5)Cl)Cl)C=C3)C)N=N1

DOS

IR

Vibrations